smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886261 551558605 /nfs/dbraw/zinc/55/86/05/551558605.db2.gz BDQVEBIEYIKORG-DEOSSOPVSA-N 1 2 541.678 2.654 40 0 KFABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)o1 ZINC000000886263 551558620 /nfs/dbraw/zinc/55/86/20/551558620.db2.gz BDQVEBIEYIKORG-XMMPIXPASA-N 1 2 541.678 2.654 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1CN(CC[NH+]1CCOCC1)C(=S)NCCc1ccccc1)OCCO3 ZINC000000891223 551562914 /nfs/dbraw/zinc/56/29/14/551562914.db2.gz BIHWHHFFILXGPU-UHFFFAOYSA-N 1 2 508.644 2.551 40 0 KFABLO COC(=O)c1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000000891230 551562819 /nfs/dbraw/zinc/56/28/19/551562819.db2.gz MGIQSAJIRSAOKC-UHFFFAOYSA-N 1 2 538.626 2.617 40 0 KFABLO COc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1OC ZINC000000895463 551563700 /nfs/dbraw/zinc/56/37/00/551563700.db2.gz DZJNNBDDUVTDSI-UHFFFAOYSA-N 1 2 510.660 2.797 40 0 KFABLO COC(=O)c1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895478 551563654 /nfs/dbraw/zinc/56/36/54/551563654.db2.gz UBSHZSIVILVBOU-UHFFFAOYSA-N 1 2 540.642 2.863 40 0 KFABLO O=S(=O)(c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCOCC1 ZINC000000922622 551576814 /nfs/dbraw/zinc/57/68/14/551576814.db2.gz NVLDMSUKYIISMH-UHFFFAOYSA-N 1 2 541.695 2.803 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925865 551579127 /nfs/dbraw/zinc/57/91/27/551579127.db2.gz ZSNZKJSAWVERQL-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925865 551579123 /nfs/dbraw/zinc/57/91/23/551579123.db2.gz ZSNZKJSAWVERQL-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926241 551579558 /nfs/dbraw/zinc/57/95/58/551579558.db2.gz IUSGDJZXCDTSLE-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926241 551579556 /nfs/dbraw/zinc/57/95/56/551579556.db2.gz IUSGDJZXCDTSLE-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926453 551579499 /nfs/dbraw/zinc/57/94/99/551579499.db2.gz DQCBGTLJQWBAEA-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000926453 551579498 /nfs/dbraw/zinc/57/94/98/551579498.db2.gz DQCBGTLJQWBAEA-UHFFFAOYSA-N 1 2 520.590 2.648 40 0 KFABLO COc1ccc(Cn2nnnc2CN(CC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926644 551579540 /nfs/dbraw/zinc/57/95/40/551579540.db2.gz WAPWWJYQBRKDFG-UHFFFAOYSA-N 1 2 517.634 2.523 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926878 551579979 /nfs/dbraw/zinc/57/99/79/551579979.db2.gz DDKUZZZKNOXNGR-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000926878 551579976 /nfs/dbraw/zinc/57/99/76/551579976.db2.gz DDKUZZZKNOXNGR-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927071 551580000 /nfs/dbraw/zinc/58/00/00/551580000.db2.gz ARCBEBOQPSKZBU-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000927071 551579997 /nfs/dbraw/zinc/57/99/97/551579997.db2.gz ARCBEBOQPSKZBU-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927270 551580216 /nfs/dbraw/zinc/58/02/16/551580216.db2.gz MRJNPUNFMJHMCI-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000927270 551580214 /nfs/dbraw/zinc/58/02/14/551580214.db2.gz MRJNPUNFMJHMCI-UHFFFAOYSA-N 1 2 534.617 2.957 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928125 551580638 /nfs/dbraw/zinc/58/06/38/551580638.db2.gz VCIQDWOQRICKII-UHFFFAOYSA-N 1 2 550.616 2.739 40 0 KFABLO CCOC(=O)Cn1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000000928125 551580635 /nfs/dbraw/zinc/58/06/35/551580635.db2.gz VCIQDWOQRICKII-UHFFFAOYSA-N 1 2 550.616 2.739 40 0 KFABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334463 551645006 /nfs/dbraw/zinc/64/50/06/551645006.db2.gz HDZJQSJKRHWTFY-XMMPIXPASA-N 1 2 508.554 2.665 40 0 KFABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334463 551645003 /nfs/dbraw/zinc/64/50/03/551645003.db2.gz HDZJQSJKRHWTFY-XMMPIXPASA-N 1 2 508.554 2.665 40 0 KFABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374469 551654045 /nfs/dbraw/zinc/65/40/45/551654045.db2.gz SNNXDLJSFRLGRN-QFIPXVFZSA-N 1 2 534.573 2.969 40 0 KFABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374469 551654044 /nfs/dbraw/zinc/65/40/44/551654044.db2.gz SNNXDLJSFRLGRN-QFIPXVFZSA-N 1 2 534.573 2.969 40 0 KFABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374701 551654691 /nfs/dbraw/zinc/65/46/91/551654691.db2.gz LHEHQVJMHVNIAU-QFIPXVFZSA-N 1 2 534.573 2.969 40 0 KFABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374701 551654689 /nfs/dbraw/zinc/65/46/89/551654689.db2.gz LHEHQVJMHVNIAU-QFIPXVFZSA-N 1 2 534.573 2.969 40 0 KFABLO O=C(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000004147827 552442968 /nfs/dbraw/zinc/44/29/68/552442968.db2.gz DETFUYSPXFRYGO-UWHLTILDSA-N 1 2 527.463 2.807 40 0 biogenic,in-vitro KFABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004391172 552458421 /nfs/dbraw/zinc/45/84/21/552458421.db2.gz HDZJQSJKRHWTFY-DEOSSOPVSA-N 1 2 508.554 2.665 40 0 KFABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000004391172 552458419 /nfs/dbraw/zinc/45/84/19/552458419.db2.gz HDZJQSJKRHWTFY-DEOSSOPVSA-N 1 2 508.554 2.665 40 0 KFABLO CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000006122519 552534855 /nfs/dbraw/zinc/53/48/55/552534855.db2.gz QUAFBWVFESCWPB-UHFFFAOYSA-N 1 2 530.676 2.641 40 0 KFABLO CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000006122528 552534902 /nfs/dbraw/zinc/53/49/02/552534902.db2.gz HFPPYQGNKOULDZ-UHFFFAOYSA-N 1 2 543.719 2.698 40 0 KFABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006239123 552572398 /nfs/dbraw/zinc/57/23/98/552572398.db2.gz MDZRBEWVROUPPA-RUZDIDTESA-N 1 2 502.575 2.934 40 0 KFABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006239209 552572741 /nfs/dbraw/zinc/57/27/41/552572741.db2.gz MDZRBEWVROUPPA-VWLOTQADSA-N 1 2 502.575 2.934 40 0 KFABLO COc1ccc(CCNC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000006240112 552573131 /nfs/dbraw/zinc/57/31/31/552573131.db2.gz MGLCYKPXIQMRCJ-UHFFFAOYSA-N 1 2 570.712 2.814 40 0 KFABLO COc1ccc(CCNC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000006240114 552573304 /nfs/dbraw/zinc/57/33/04/552573304.db2.gz LEHQNCOPGSJBGN-UHFFFAOYSA-N 1 2 568.696 2.568 40 0 KFABLO COc1ccc(CCNC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1OC ZINC000006240115 552573276 /nfs/dbraw/zinc/57/32/76/552573276.db2.gz LUZSDWMKEIHNCW-UHFFFAOYSA-N 1 2 554.669 2.525 40 0 KFABLO CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000006878409 552975788 /nfs/dbraw/zinc/97/57/88/552975788.db2.gz NFBDYHGQGLXARV-UHFFFAOYSA-N 1 2 542.687 2.835 40 0 KFABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000007060440 552982869 /nfs/dbraw/zinc/98/28/69/552982869.db2.gz PNJFPVMLAKJUGR-SANMLTNESA-N 1 2 567.716 2.761 40 0 KFABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1 ZINC000007060463 552982903 /nfs/dbraw/zinc/98/29/03/552982903.db2.gz PNJFPVMLAKJUGR-AREMUKBSSA-N 1 2 567.716 2.761 40 0 KFABLO CC(C)(C)NC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1 ZINC000008438209 553033312 /nfs/dbraw/zinc/03/33/12/553033312.db2.gz LMSWEHJMGMYTIB-UHFFFAOYSA-N 1 2 544.707 2.905 40 0 KFABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008671353 553110410 /nfs/dbraw/zinc/11/04/10/553110410.db2.gz NLDZXQDPUSNFOB-QFIPXVFZSA-N 1 2 506.563 2.636 40 0 KFABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008671353 553110407 /nfs/dbraw/zinc/11/04/07/553110407.db2.gz NLDZXQDPUSNFOB-QFIPXVFZSA-N 1 2 506.563 2.636 40 0 KFABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008671354 553110444 /nfs/dbraw/zinc/11/04/44/553110444.db2.gz NLDZXQDPUSNFOB-JOCHJYFZSA-N 1 2 506.563 2.636 40 0 KFABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000008671354 553110442 /nfs/dbraw/zinc/11/04/42/553110442.db2.gz NLDZXQDPUSNFOB-JOCHJYFZSA-N 1 2 506.563 2.636 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000010157502 553330356 /nfs/dbraw/zinc/33/03/56/553330356.db2.gz NLWYQXZHLJPCAV-YADHBBJMSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000010157503 553330362 /nfs/dbraw/zinc/33/03/62/553330362.db2.gz NLWYQXZHLJPCAV-VXKWHMMOSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000010157504 553330313 /nfs/dbraw/zinc/33/03/13/553330313.db2.gz NLWYQXZHLJPCAV-FGZHOGPDSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3cccc(Cl)c3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000010157505 553330347 /nfs/dbraw/zinc/33/03/47/553330347.db2.gz NLWYQXZHLJPCAV-FCHUYYIVSA-N 1 2 500.983 2.886 40 0 KFABLO COC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498029 553382034 /nfs/dbraw/zinc/38/20/34/553382034.db2.gz SWAGACNLJXQZTJ-GIRPNKPCSA-N 1 2 520.563 2.830 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000012498030 553382010 /nfs/dbraw/zinc/38/20/10/553382010.db2.gz SWAGACNLJXQZTJ-NBCVKUGOSA-N 1 2 520.563 2.830 40 0 KFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000012530291 553386047 /nfs/dbraw/zinc/38/60/47/553386047.db2.gz BKDORGJLVWSUOL-NRFANRHFSA-N 1 2 502.980 2.832 40 0 biogenic,in-vitro KFABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501186 553466485 /nfs/dbraw/zinc/46/64/85/553466485.db2.gz LIFWRMHDMRWOSF-UKILVPOCSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501186 553466484 /nfs/dbraw/zinc/46/64/84/553466484.db2.gz LIFWRMHDMRWOSF-UKILVPOCSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501187 553466459 /nfs/dbraw/zinc/46/64/59/553466459.db2.gz LIFWRMHDMRWOSF-ZCYQVOJMSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501187 553466457 /nfs/dbraw/zinc/46/64/57/553466457.db2.gz LIFWRMHDMRWOSF-ZCYQVOJMSA-N 1 2 509.655 2.678 40 0 KFABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000013570708 553473658 /nfs/dbraw/zinc/47/36/58/553473658.db2.gz STRFAHUAHKZUFY-UHFFFAOYSA-N 1 2 510.616 2.839 40 0 KFABLO COc1ccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl ZINC000013680346 553484146 /nfs/dbraw/zinc/48/41/46/553484146.db2.gz YAMUUCNNUXZUBN-INIZCTEOSA-N 1 2 510.012 2.576 40 0 KFABLO COc1ccc(N([C@H](C)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1Cl ZINC000013680348 553484162 /nfs/dbraw/zinc/48/41/62/553484162.db2.gz YAMUUCNNUXZUBN-MRXNPFEDSA-N 1 2 510.012 2.576 40 0 KFABLO Cc1c(Br)cc2c(c1Br)OCC(CN1CCOCC1)(C[NH+]1CCOCC1)C2=O ZINC000016249889 553557922 /nfs/dbraw/zinc/55/79/22/553557922.db2.gz QJBAUVHJMPUOJE-UHFFFAOYSA-N 1 2 518.246 2.746 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016428756 553563223 /nfs/dbraw/zinc/56/32/23/553563223.db2.gz QEKXUIULDHNPSO-UHFFFAOYSA-N 1 2 515.632 2.750 40 0 KFABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016479089 553565908 /nfs/dbraw/zinc/56/59/08/553565908.db2.gz DPCQLZGQLPQTNF-UHFFFAOYSA-N 1 2 521.639 2.993 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016490288 553566373 /nfs/dbraw/zinc/56/63/73/553566373.db2.gz AEIGYNVBXPHWFV-UHFFFAOYSA-N 1 2 509.584 2.939 40 0 KFABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1 ZINC000017376571 553594910 /nfs/dbraw/zinc/59/49/10/553594910.db2.gz QYARZVQBYMZCMB-HHHXNRCGSA-N 1 2 565.675 2.601 40 0 KFABLO COc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC3CCCC3)c3ccc(C)o3)n2)cc1 ZINC000017376575 553594853 /nfs/dbraw/zinc/59/48/53/553594853.db2.gz QYARZVQBYMZCMB-MHZLTWQESA-N 1 2 565.675 2.601 40 0 KFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000019359920 553613821 /nfs/dbraw/zinc/61/38/21/553613821.db2.gz NQJVKHLOABHTFS-RUZDIDTESA-N 1 2 532.649 2.979 40 0 KFABLO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019360908 553613815 /nfs/dbraw/zinc/61/38/15/553613815.db2.gz SODDGDOVDYAHJI-VWLOTQADSA-N 1 2 545.600 2.634 40 0 KFABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019360912 553613704 /nfs/dbraw/zinc/61/37/04/553613704.db2.gz HSMUGBRKZIMTBE-RUZDIDTESA-N 1 2 531.617 2.914 40 0 KFABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019366624 553614204 /nfs/dbraw/zinc/61/42/04/553614204.db2.gz HSMUGBRKZIMTBE-VWLOTQADSA-N 1 2 531.617 2.914 40 0 KFABLO COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccncc4)CC3)c(=O)[nH]c2cc1OC ZINC000019366630 193882249 /nfs/dbraw/zinc/88/22/49/193882249.db2.gz JKYMWXLMISNBGH-DEOSSOPVSA-N 1 2 518.622 2.589 40 0 KFABLO COc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccncc4)CC3)c(=O)[nH]c2cc1OC ZINC000019367188 553614099 /nfs/dbraw/zinc/61/40/99/553614099.db2.gz JKYMWXLMISNBGH-XMMPIXPASA-N 1 2 518.622 2.589 40 0 KFABLO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019371903 553614519 /nfs/dbraw/zinc/61/45/19/553614519.db2.gz SODDGDOVDYAHJI-RUZDIDTESA-N 1 2 545.600 2.634 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000019817888 553619075 /nfs/dbraw/zinc/61/90/75/553619075.db2.gz MCLFVRKXEOBTIZ-FGZHOGPDSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000019817890 553619172 /nfs/dbraw/zinc/61/91/72/553619172.db2.gz MCLFVRKXEOBTIZ-FCHUYYIVSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000019817892 553619146 /nfs/dbraw/zinc/61/91/46/553619146.db2.gz MCLFVRKXEOBTIZ-YADHBBJMSA-N 1 2 500.983 2.886 40 0 KFABLO CCOC(=O)C1=C(O)NC(N2CCN(c3ccc(Cl)cc3)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000019817894 553619045 /nfs/dbraw/zinc/61/90/45/553619045.db2.gz MCLFVRKXEOBTIZ-VXKWHMMOSA-N 1 2 500.983 2.886 40 0 KFABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000019820861 193888117 /nfs/dbraw/zinc/88/81/17/193888117.db2.gz RSFZYZFRSGBTKN-QFIPXVFZSA-N 1 2 518.445 2.780 40 0 KFABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000019820864 553620056 /nfs/dbraw/zinc/62/00/56/553620056.db2.gz RSFZYZFRSGBTKN-JOCHJYFZSA-N 1 2 518.445 2.780 40 0 KFABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000019820866 553619903 /nfs/dbraw/zinc/61/99/03/553619903.db2.gz ZZMSBNCKZHXARW-QFIPXVFZSA-N 1 2 518.445 2.780 40 0 KFABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000019820868 553619966 /nfs/dbraw/zinc/61/99/66/553619966.db2.gz ZZMSBNCKZHXARW-JOCHJYFZSA-N 1 2 518.445 2.780 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc21 ZINC000019821076 553620324 /nfs/dbraw/zinc/62/03/24/553620324.db2.gz LYVFBFKGDBKNTQ-VWLOTQADSA-N 1 2 520.033 2.971 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc21 ZINC000019821078 553620282 /nfs/dbraw/zinc/62/02/82/553620282.db2.gz LYVFBFKGDBKNTQ-RUZDIDTESA-N 1 2 520.033 2.971 40 0 KFABLO CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCC[NH+]1CCOCC1 ZINC000019823942 553620746 /nfs/dbraw/zinc/62/07/46/553620746.db2.gz CGXVEHMVPLHKKY-UHFFFAOYSA-N 1 2 518.636 2.965 40 0 KFABLO COC(=O)c1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019825669 553621418 /nfs/dbraw/zinc/62/14/18/553621418.db2.gz GEENGSANFSZXHW-UHFFFAOYSA-N 1 2 510.616 2.855 40 0 KFABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000019825972 553621667 /nfs/dbraw/zinc/62/16/67/553621667.db2.gz WCRNOLWVTMVMKR-JOCHJYFZSA-N 1 2 529.667 2.510 40 0 KFABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC(C)(C)C)c3cccs3)n2)o1 ZINC000019825975 553621629 /nfs/dbraw/zinc/62/16/29/553621629.db2.gz WCRNOLWVTMVMKR-QFIPXVFZSA-N 1 2 529.667 2.510 40 0 KFABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019935429 553636294 /nfs/dbraw/zinc/63/62/94/553636294.db2.gz FWMSXSJHSVKZIQ-UHFFFAOYSA-N 1 2 522.023 2.576 40 0 KFABLO CN(c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937853 553636991 /nfs/dbraw/zinc/63/69/91/553636991.db2.gz ZZVAQLPRWCDXDH-UHFFFAOYSA-N 1 2 523.611 2.964 40 0 KFABLO COC(=O)c1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940480 553639116 /nfs/dbraw/zinc/63/91/16/553639116.db2.gz DQTDNAOHNRBFJQ-UHFFFAOYSA-N 1 2 524.599 2.575 40 0 KFABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000019940527 553639508 /nfs/dbraw/zinc/63/95/08/553639508.db2.gz VWTYMLMVZUOFFD-UHFFFAOYSA-N 1 2 510.616 2.839 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000019961696 553648883 /nfs/dbraw/zinc/64/88/83/553648883.db2.gz XXSMAELUGHWKMV-VWLOTQADSA-N 1 2 520.033 2.971 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000019961702 553648845 /nfs/dbraw/zinc/64/88/45/553648845.db2.gz XXSMAELUGHWKMV-RUZDIDTESA-N 1 2 520.033 2.971 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000019961746 553648892 /nfs/dbraw/zinc/64/88/92/553648892.db2.gz BCPGSHCKUIBNJF-MHZLTWQESA-N 1 2 527.625 2.957 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000019961751 553648895 /nfs/dbraw/zinc/64/88/95/553648895.db2.gz BCPGSHCKUIBNJF-HHHXNRCGSA-N 1 2 527.625 2.957 40 0 KFABLO CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019961814 553649113 /nfs/dbraw/zinc/64/91/13/553649113.db2.gz YBIPQPPPFMCLAM-QHCPKHFHSA-N 1 2 531.579 2.746 40 0 KFABLO CCc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000019961819 553649145 /nfs/dbraw/zinc/64/91/45/553649145.db2.gz YBIPQPPPFMCLAM-HSZRJFAPSA-N 1 2 531.579 2.746 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961918 553649134 /nfs/dbraw/zinc/64/91/34/553649134.db2.gz CIDFZDZWNPRQIX-NRFANRHFSA-N 1 2 522.408 2.610 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961920 553649024 /nfs/dbraw/zinc/64/90/24/553649024.db2.gz CIDFZDZWNPRQIX-OAQYLSRUSA-N 1 2 522.408 2.610 40 0 KFABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000019961984 553649093 /nfs/dbraw/zinc/64/90/93/553649093.db2.gz KLIWJBBWKUGOJT-QHCPKHFHSA-N 1 2 531.579 2.800 40 0 KFABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000019961986 553649038 /nfs/dbraw/zinc/64/90/38/553649038.db2.gz KLIWJBBWKUGOJT-HSZRJFAPSA-N 1 2 531.579 2.800 40 0 KFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000019973367 553652281 /nfs/dbraw/zinc/65/22/81/553652281.db2.gz NQJVKHLOABHTFS-VWLOTQADSA-N 1 2 532.649 2.979 40 0 KFABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(I)cc1 ZINC000020048506 553670436 /nfs/dbraw/zinc/67/04/36/553670436.db2.gz DNQUOVQCBUEHHP-UHFFFAOYSA-N 1 2 510.357 2.559 40 0 KFABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(OC)c1 ZINC000020081394 553680161 /nfs/dbraw/zinc/68/01/61/553680161.db2.gz RXFNOAHTJINGIC-UHFFFAOYSA-N 1 2 526.615 2.805 40 0 KFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000020081892 553680660 /nfs/dbraw/zinc/68/06/60/553680660.db2.gz INHWOLYVZFMQMA-DEOSSOPVSA-N 1 2 502.623 2.971 40 0 KFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000020081897 553680611 /nfs/dbraw/zinc/68/06/11/553680611.db2.gz INHWOLYVZFMQMA-XMMPIXPASA-N 1 2 502.623 2.971 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccccc4OC)CC3)cc2c1 ZINC000020082513 553681936 /nfs/dbraw/zinc/68/19/36/553681936.db2.gz UZHKSQVUCLZESA-AREMUKBSSA-N 1 2 517.634 2.639 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CC[NH+](Cc4ccccc4OC)CC3)cc2c1 ZINC000020082517 553681859 /nfs/dbraw/zinc/68/18/59/553681859.db2.gz UZHKSQVUCLZESA-SANMLTNESA-N 1 2 517.634 2.639 40 0 KFABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000020083241 553683716 /nfs/dbraw/zinc/68/37/16/553683716.db2.gz OVSAYTLMKXPHOM-WIOPSUGQSA-N 1 2 503.607 2.811 40 0 KFABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000020083244 553683673 /nfs/dbraw/zinc/68/36/73/553683673.db2.gz OVSAYTLMKXPHOM-DHLKQENFSA-N 1 2 503.607 2.811 40 0 KFABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000020083247 553683734 /nfs/dbraw/zinc/68/37/34/553683734.db2.gz OVSAYTLMKXPHOM-RCZVLFRGSA-N 1 2 503.607 2.811 40 0 KFABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000020083250 553683700 /nfs/dbraw/zinc/68/37/00/553683700.db2.gz OVSAYTLMKXPHOM-RDGATRHJSA-N 1 2 503.607 2.811 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084306 553685866 /nfs/dbraw/zinc/68/58/66/553685866.db2.gz HQFYAUNZGISIDZ-XMMPIXPASA-N 1 2 503.563 2.859 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084308 553685887 /nfs/dbraw/zinc/68/58/87/553685887.db2.gz HQFYAUNZGISIDZ-DEOSSOPVSA-N 1 2 503.563 2.859 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084331 553685981 /nfs/dbraw/zinc/68/59/81/553685981.db2.gz FLOKQKRMRJBSML-AREMUKBSSA-N 1 2 525.569 2.792 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084334 553685974 /nfs/dbraw/zinc/68/59/74/553685974.db2.gz FLOKQKRMRJBSML-SANMLTNESA-N 1 2 525.569 2.792 40 0 KFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccco2)CC1 ZINC000020084337 553685972 /nfs/dbraw/zinc/68/59/72/553685972.db2.gz HWIWZDLDHHKXGN-QHCPKHFHSA-N 1 2 505.579 2.889 40 0 KFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccco2)CC1 ZINC000020084340 553686040 /nfs/dbraw/zinc/68/60/40/553686040.db2.gz HWIWZDLDHHKXGN-HSZRJFAPSA-N 1 2 505.579 2.889 40 0 KFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000020109338 553692342 /nfs/dbraw/zinc/69/23/42/553692342.db2.gz VJHNXTDMOUHNKR-UHFFFAOYSA-N 1 2 505.598 2.653 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)Cc3nnnn3Cc3ccc(F)cc3)cc12 ZINC000020109339 553692741 /nfs/dbraw/zinc/69/27/41/553692741.db2.gz WZVRIZZJIIBIEN-UHFFFAOYSA-N 1 2 505.598 2.653 40 0 KFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1C ZINC000020109341 553692690 /nfs/dbraw/zinc/69/26/90/553692690.db2.gz HORNHNDKQLCTLZ-UHFFFAOYSA-N 1 2 501.635 2.709 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)Cc3nnnn3CCc3ccccc3)cc12 ZINC000020109342 553692650 /nfs/dbraw/zinc/69/26/50/553692650.db2.gz TXRRWPWIXVYLET-UHFFFAOYSA-N 1 2 501.635 2.709 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1C[C@@H]1CCCO1)OCCO3 ZINC000020109367 553692699 /nfs/dbraw/zinc/69/26/99/553692699.db2.gz MNQYSTHVEQYKGW-QFIPXVFZSA-N 1 2 502.575 2.710 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1C[C@@H]1CCCO1)OCCO3 ZINC000020109367 553692695 /nfs/dbraw/zinc/69/26/95/553692695.db2.gz MNQYSTHVEQYKGW-QFIPXVFZSA-N 1 2 502.575 2.710 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1C[C@H]1CCCO1)OCCO3 ZINC000020109368 553692774 /nfs/dbraw/zinc/69/27/74/553692774.db2.gz MNQYSTHVEQYKGW-JOCHJYFZSA-N 1 2 502.575 2.710 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1C[C@H]1CCCO1)OCCO3 ZINC000020109368 553692771 /nfs/dbraw/zinc/69/27/71/553692771.db2.gz MNQYSTHVEQYKGW-JOCHJYFZSA-N 1 2 502.575 2.710 40 0 KFABLO COC(=O)[C@@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150762 553595452 /nfs/dbraw/zinc/59/54/52/553595452.db2.gz SWAGACNLJXQZTJ-FAWUNYRSSA-N 1 2 520.563 2.830 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000020150763 553595440 /nfs/dbraw/zinc/59/54/40/553595440.db2.gz SWAGACNLJXQZTJ-RNLGNXJRSA-N 1 2 520.563 2.830 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000020150765 553595415 /nfs/dbraw/zinc/59/54/15/553595415.db2.gz SWAGACNLJXQZTJ-IILZIBOQSA-N 1 2 520.563 2.830 40 0 KFABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000020176760 553602475 /nfs/dbraw/zinc/60/24/75/553602475.db2.gz BLTUHBGSVIKYRU-QFIPXVFZSA-N 1 2 500.596 2.888 40 0 KFABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000020176762 553602455 /nfs/dbraw/zinc/60/24/55/553602455.db2.gz BLTUHBGSVIKYRU-JOCHJYFZSA-N 1 2 500.596 2.888 40 0 KFABLO O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493045 553666106 /nfs/dbraw/zinc/66/61/06/553666106.db2.gz DIXNDZACSQNRAQ-XMMPIXPASA-N 1 2 513.660 2.734 40 0 KFABLO O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493046 553666100 /nfs/dbraw/zinc/66/61/00/553666100.db2.gz DIXNDZACSQNRAQ-DEOSSOPVSA-N 1 2 513.660 2.734 40 0 KFABLO CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020676736 553687328 /nfs/dbraw/zinc/68/73/28/553687328.db2.gz PIGHTPPSWMZNBJ-QHCPKHFHSA-N 1 2 531.579 2.746 40 0 KFABLO CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020676742 553687437 /nfs/dbraw/zinc/68/74/37/553687437.db2.gz PIGHTPPSWMZNBJ-HSZRJFAPSA-N 1 2 531.579 2.746 40 0 KFABLO CCOC(=O)[C@H]1C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 ZINC000020802325 553698352 /nfs/dbraw/zinc/69/83/52/553698352.db2.gz BLXZAYSQERECIK-DNQXCXABSA-N 1 2 508.575 2.588 40 0 KFABLO CCOC(=O)[C@@H]1C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3n2[C@@H]1c1ccc(OC)c(O)c1 ZINC000020802328 553698358 /nfs/dbraw/zinc/69/83/58/553698358.db2.gz BLXZAYSQERECIK-BJKOFHAPSA-N 1 2 508.575 2.588 40 0 KFABLO CCOC(=O)[C@H]1C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 ZINC000020802331 553698590 /nfs/dbraw/zinc/69/85/90/553698590.db2.gz BLXZAYSQERECIK-RPWUZVMVSA-N 1 2 508.575 2.588 40 0 KFABLO CCOC(=O)[C@@H]1C(=O)N(CCC[NH+]2CCOCC2)c2nc3ccccc3n2[C@H]1c1ccc(OC)c(O)c1 ZINC000020802334 553698543 /nfs/dbraw/zinc/69/85/43/553698543.db2.gz BLXZAYSQERECIK-ZEQRLZLVSA-N 1 2 508.575 2.588 40 0 KFABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000020802900 553698581 /nfs/dbraw/zinc/69/85/81/553698581.db2.gz PHZGJLHNLSJWEV-QHCPKHFHSA-N 1 2 531.579 2.800 40 0 KFABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000020802903 553698615 /nfs/dbraw/zinc/69/86/15/553698615.db2.gz PHZGJLHNLSJWEV-HSZRJFAPSA-N 1 2 531.579 2.800 40 0 KFABLO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000020803121 553698604 /nfs/dbraw/zinc/69/86/04/553698604.db2.gz VNJZGFSTYVVJCF-DEOSSOPVSA-N 1 2 512.054 2.941 40 0 KFABLO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000020803125 553698575 /nfs/dbraw/zinc/69/85/75/553698575.db2.gz VNJZGFSTYVVJCF-XMMPIXPASA-N 1 2 512.054 2.941 40 0 KFABLO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020803128 553698600 /nfs/dbraw/zinc/69/86/00/553698600.db2.gz CMCYUKLPCZFHBC-DEOSSOPVSA-N 1 2 512.054 2.941 40 0 KFABLO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000020803132 553698593 /nfs/dbraw/zinc/69/85/93/553698593.db2.gz CMCYUKLPCZFHBC-XMMPIXPASA-N 1 2 512.054 2.941 40 0 KFABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022246306 553729508 /nfs/dbraw/zinc/72/95/08/553729508.db2.gz SGSKBLSJYCDENW-XMMPIXPASA-N 1 2 507.612 2.649 40 0 KFABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022246310 553729553 /nfs/dbraw/zinc/72/95/53/553729553.db2.gz SGSKBLSJYCDENW-DEOSSOPVSA-N 1 2 507.612 2.649 40 0 KFABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022247093 553730333 /nfs/dbraw/zinc/73/03/33/553730333.db2.gz OXVLJDRJLJTQMA-DEOSSOPVSA-N 1 2 525.602 2.788 40 0 KFABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022247097 553730242 /nfs/dbraw/zinc/73/02/42/553730242.db2.gz OXVLJDRJLJTQMA-XMMPIXPASA-N 1 2 525.602 2.788 40 0 KFABLO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022248908 553731382 /nfs/dbraw/zinc/73/13/82/553731382.db2.gz XSKLENQBVQKPSK-UHFFFAOYSA-N 1 2 524.039 2.822 40 0 KFABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022250427 553731737 /nfs/dbraw/zinc/73/17/37/553731737.db2.gz YIXBCVGXVANSFH-QPJJXVBHSA-N 1 2 520.051 2.597 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446654 553742404 /nfs/dbraw/zinc/74/24/04/553742404.db2.gz CBVCZFGXHXORBI-WTUKIFRESA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446654 553742402 /nfs/dbraw/zinc/74/24/02/553742402.db2.gz CBVCZFGXHXORBI-WTUKIFRESA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446654 553742400 /nfs/dbraw/zinc/74/24/00/553742400.db2.gz CBVCZFGXHXORBI-WTUKIFRESA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446654 553742398 /nfs/dbraw/zinc/74/23/98/553742398.db2.gz CBVCZFGXHXORBI-WTUKIFRESA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446660 553742352 /nfs/dbraw/zinc/74/23/52/553742352.db2.gz CBVCZFGXHXORBI-MTDKZJJISA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446660 553742347 /nfs/dbraw/zinc/74/23/47/553742347.db2.gz CBVCZFGXHXORBI-MTDKZJJISA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446660 553742343 /nfs/dbraw/zinc/74/23/43/553742343.db2.gz CBVCZFGXHXORBI-MTDKZJJISA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2cccnc2)CCN1C[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000022446660 553742339 /nfs/dbraw/zinc/74/23/39/553742339.db2.gz CBVCZFGXHXORBI-MTDKZJJISA-N 1 2 613.803 2.867 40 0 KFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866298 553763419 /nfs/dbraw/zinc/76/34/19/553763419.db2.gz DPPYJXCKBLBXPH-FIPFOOKPSA-N 1 2 573.654 2.728 40 0 KFABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866304 553763458 /nfs/dbraw/zinc/76/34/58/553763458.db2.gz DPPYJXCKBLBXPH-LXFBAYGMSA-N 1 2 573.654 2.728 40 0 KFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866354 553763423 /nfs/dbraw/zinc/76/34/23/553763423.db2.gz DPPYJXCKBLBXPH-NEKDWFFYSA-N 1 2 573.654 2.728 40 0 KFABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866360 553763702 /nfs/dbraw/zinc/76/37/02/553763702.db2.gz DPPYJXCKBLBXPH-QDPGVEIFSA-N 1 2 573.654 2.728 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866435 553763747 /nfs/dbraw/zinc/76/37/47/553763747.db2.gz QSHWORJVSDGIQP-FIPFOOKPSA-N 1 2 557.655 2.892 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866454 553763723 /nfs/dbraw/zinc/76/37/23/553763723.db2.gz QSHWORJVSDGIQP-LXFBAYGMSA-N 1 2 557.655 2.892 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866548 553764075 /nfs/dbraw/zinc/76/40/75/553764075.db2.gz QSHWORJVSDGIQP-NEKDWFFYSA-N 1 2 557.655 2.892 40 0 KFABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866571 553764119 /nfs/dbraw/zinc/76/41/19/553764119.db2.gz QSHWORJVSDGIQP-QDPGVEIFSA-N 1 2 557.655 2.892 40 0 KFABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869773 553765008 /nfs/dbraw/zinc/76/50/08/553765008.db2.gz NWOQGZKNKVUCJQ-DWACAAAGSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869788 553765048 /nfs/dbraw/zinc/76/50/48/553765048.db2.gz NWOQGZKNKVUCJQ-DFHRPNOPSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869851 553765002 /nfs/dbraw/zinc/76/50/02/553765002.db2.gz NWOQGZKNKVUCJQ-RBISFHTESA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869865 553765034 /nfs/dbraw/zinc/76/50/34/553765034.db2.gz NWOQGZKNKVUCJQ-SKCUWOTOSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870162 553765028 /nfs/dbraw/zinc/76/50/28/553765028.db2.gz LKOZNGZAISLSIB-FIPFOOKPSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870180 553765210 /nfs/dbraw/zinc/76/52/10/553765210.db2.gz LKOZNGZAISLSIB-LXFBAYGMSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870263 553765280 /nfs/dbraw/zinc/76/52/80/553765280.db2.gz LKOZNGZAISLSIB-NEKDWFFYSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870283 553765314 /nfs/dbraw/zinc/76/53/14/553765314.db2.gz LKOZNGZAISLSIB-QDPGVEIFSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022870358 553765231 /nfs/dbraw/zinc/76/52/31/553765231.db2.gz SPPGAKMUSNPNGK-DWACAAAGSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022870368 553765512 /nfs/dbraw/zinc/76/55/12/553765512.db2.gz SPPGAKMUSNPNGK-DFHRPNOPSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022871628 553765591 /nfs/dbraw/zinc/76/55/91/553765591.db2.gz SPPGAKMUSNPNGK-RBISFHTESA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022871636 553765560 /nfs/dbraw/zinc/76/55/60/553765560.db2.gz SPPGAKMUSNPNGK-SKCUWOTOSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871813 553765821 /nfs/dbraw/zinc/76/58/21/553765821.db2.gz PQUMJXRAUZEYGH-CUNXSJBXSA-N 1 2 543.628 2.638 40 0 KFABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871823 553765850 /nfs/dbraw/zinc/76/58/50/553765850.db2.gz PQUMJXRAUZEYGH-AMGIVPHBSA-N 1 2 543.628 2.638 40 0 KFABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871866 553765836 /nfs/dbraw/zinc/76/58/36/553765836.db2.gz PQUMJXRAUZEYGH-WXVAWEFUSA-N 1 2 543.628 2.638 40 0 KFABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871876 553765815 /nfs/dbraw/zinc/76/58/15/553765815.db2.gz PQUMJXRAUZEYGH-AJTFRIOCSA-N 1 2 543.628 2.638 40 0 KFABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872721 553765809 /nfs/dbraw/zinc/76/58/09/553765809.db2.gz HQNGPAHKWGDDQO-FIPFOOKPSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872731 553765884 /nfs/dbraw/zinc/76/58/84/553765884.db2.gz HQNGPAHKWGDDQO-LXFBAYGMSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872769 553765818 /nfs/dbraw/zinc/76/58/18/553765818.db2.gz HQNGPAHKWGDDQO-NEKDWFFYSA-N 1 2 557.655 2.946 40 0 KFABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872778 553766040 /nfs/dbraw/zinc/76/60/40/553766040.db2.gz HQNGPAHKWGDDQO-QDPGVEIFSA-N 1 2 557.655 2.946 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000022872987 553766217 /nfs/dbraw/zinc/76/62/17/553766217.db2.gz JZGUQTROFLJANO-SANMLTNESA-N 1 2 543.559 2.931 40 0 KFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000022873004 553766066 /nfs/dbraw/zinc/76/60/66/553766066.db2.gz JZGUQTROFLJANO-AREMUKBSSA-N 1 2 543.559 2.931 40 0 KFABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000023510899 553787306 /nfs/dbraw/zinc/78/73/06/553787306.db2.gz HUSOCTXJUXHJNA-UHFFFAOYSA-N 1 2 501.605 2.557 40 0 KFABLO O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026111605 553815665 /nfs/dbraw/zinc/81/56/65/553815665.db2.gz MELDUYNFPBGKJI-UHFFFAOYSA-N 1 2 513.660 2.734 40 0 KFABLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N1CC[NH+](C)CC1 ZINC000027084753 553825365 /nfs/dbraw/zinc/82/53/65/553825365.db2.gz YFDSDRDMDDGDFC-HOQQKOLYSA-N 1 2 705.988 2.830 40 0 in-man KFABLO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)C[C@H]2C(C)C)cc1 ZINC000030879927 553860902 /nfs/dbraw/zinc/86/09/02/553860902.db2.gz MAZHPYDVCDUIOW-FXSPECFOSA-N 1 2 534.723 2.616 40 0 biogenic,in-vitro KFABLO CN(C)S(=O)(=O)c1ccc2c(c1)N(CCC[NH+]1CCN(S(C)(=O)=O)CC1)c1ccccc1S2 ZINC000031302808 553861139 /nfs/dbraw/zinc/86/11/39/553861139.db2.gz GCQSBCDRVDTMSX-UHFFFAOYSA-N 1 2 510.707 2.507 40 0 KFABLO COc1cc(C(=O)O[C@@H](C)C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000031484061 553861348 /nfs/dbraw/zinc/86/13/48/553861348.db2.gz TWZWYGOBLUMNKN-KRWDZBQOSA-N 1 2 532.590 2.742 40 0 KFABLO COc1cc(C(=O)O[C@H](C)C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000031484064 553861590 /nfs/dbraw/zinc/86/15/90/553861590.db2.gz TWZWYGOBLUMNKN-QGZVFWFLSA-N 1 2 532.590 2.742 40 0 KFABLO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000032125461 553866350 /nfs/dbraw/zinc/86/63/50/553866350.db2.gz ZKGMIIMSBGQINK-UHFFFAOYSA-N 1 2 524.039 2.726 40 0 KFABLO O=C(CCCN1C(=O)c2ccccc2C1=O)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000033526081 553961813 /nfs/dbraw/zinc/96/18/13/553961813.db2.gz CIIAVBVNCGUKIJ-UHFFFAOYSA-N 1 2 524.577 2.656 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033661939 553966833 /nfs/dbraw/zinc/96/68/33/553966833.db2.gz JJZUGZXGFUQUDP-UHFFFAOYSA-N 1 2 522.023 2.576 40 0 KFABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937389 553979653 /nfs/dbraw/zinc/97/96/53/553979653.db2.gz LIFWRMHDMRWOSF-NOZRDPDXSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937389 553979651 /nfs/dbraw/zinc/97/96/51/553979651.db2.gz LIFWRMHDMRWOSF-NOZRDPDXSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937390 553979520 /nfs/dbraw/zinc/97/95/20/553979520.db2.gz LIFWRMHDMRWOSF-ILBGXUMGSA-N 1 2 509.655 2.678 40 0 KFABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937390 553979519 /nfs/dbraw/zinc/97/95/19/553979519.db2.gz LIFWRMHDMRWOSF-ILBGXUMGSA-N 1 2 509.655 2.678 40 0 KFABLO CC(C)(C)CC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NCC[NH+]1CCOCC1 ZINC000035955798 554107873 /nfs/dbraw/zinc/10/78/73/554107873.db2.gz JXGRMWPQCGHEEG-IOKADBLRSA-N 1 2 550.766 2.772 40 0 biogenic,in-vitro KFABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)c4cccc(F)c4)sc3C[C@H]12 ZINC000035958788 554108049 /nfs/dbraw/zinc/10/80/49/554108049.db2.gz DVRZXXLGZCDBSP-RUMONJKUSA-N 1 2 574.719 2.789 40 0 biogenic,in-vitro KFABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)c4c(F)cccc4F)sc3C[C@H]12 ZINC000035973851 554115123 /nfs/dbraw/zinc/11/51/23/554115123.db2.gz ZHXBIIQBCZTXOY-ZQWKOILCSA-N 1 2 592.709 2.928 40 0 biogenic,in-vitro KFABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)C4CCCCC4)sc3C[C@H]12 ZINC000035973865 291768023 /nfs/dbraw/zinc/76/80/23/291768023.db2.gz MHLHSFQSLMWLPW-RUMONJKUSA-N 1 2 562.777 2.916 40 0 biogenic,in-vitro KFABLO C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)c3nc(NC(=O)c4ccc(F)cc4)sc3C[C@H]12 ZINC000035973871 554115118 /nfs/dbraw/zinc/11/51/18/554115118.db2.gz PMEPAUORHSRYBZ-RUMONJKUSA-N 1 2 574.719 2.789 40 0 biogenic,in-vitro KFABLO CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296001 554211299 /nfs/dbraw/zinc/21/12/99/554211299.db2.gz HQAXRDXWWICSQL-UHFFFAOYSA-N 1 2 518.640 2.771 40 0 KFABLO CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296035 554211469 /nfs/dbraw/zinc/21/14/69/554211469.db2.gz KNXALAFDNZUSDX-UHFFFAOYSA-N 1 2 520.725 2.784 40 0 KFABLO NC(=O)c1nsc(C(=O)N(CCC[NH+]2CCOCC2)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N ZINC000038145873 554268578 /nfs/dbraw/zinc/26/85/78/554268578.db2.gz NKHCXPSYCZBMMT-QFIPXVFZSA-N 1 2 563.124 2.832 40 0 KFABLO NC(=O)c1nsc(C(=O)N(CCC[NH+]2CCOCC2)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)c1N ZINC000038145874 554268588 /nfs/dbraw/zinc/26/85/88/554268588.db2.gz NKHCXPSYCZBMMT-JOCHJYFZSA-N 1 2 563.124 2.832 40 0 KFABLO CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CC[NH+](CC)CC3)ccc1OCC)[nH]c2=S ZINC000038384509 554274645 /nfs/dbraw/zinc/27/46/45/554274645.db2.gz BGPSRMUUQQTZFB-UHFFFAOYSA-N 1 2 504.682 2.996 40 0 in-vitro KFABLO CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039985359 554281895 /nfs/dbraw/zinc/28/18/95/554281895.db2.gz LDWRZDSPELTMBP-UHFFFAOYSA-N 1 2 524.437 2.533 40 0 KFABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000039986550 554281889 /nfs/dbraw/zinc/28/18/89/554281889.db2.gz FPCJPPRJXPIFJY-UHFFFAOYSA-N 1 2 524.039 2.822 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000043947645 554300181 /nfs/dbraw/zinc/30/01/81/554300181.db2.gz CBVCZFGXHXORBI-SQLLRNRGSA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000043947645 554300178 /nfs/dbraw/zinc/30/01/78/554300178.db2.gz CBVCZFGXHXORBI-SQLLRNRGSA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000043947645 554300173 /nfs/dbraw/zinc/30/01/73/554300173.db2.gz CBVCZFGXHXORBI-SQLLRNRGSA-N 1 2 613.803 2.867 40 0 KFABLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000043947645 554300169 /nfs/dbraw/zinc/30/01/69/554300169.db2.gz CBVCZFGXHXORBI-SQLLRNRGSA-N 1 2 613.803 2.867 40 0 KFABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000059780912 554429695 /nfs/dbraw/zinc/42/96/95/554429695.db2.gz LQNVIJVXJCMVOC-NDEPHWFRSA-N 1 2 557.651 2.965 40 0 KFABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 ZINC000059780921 554429560 /nfs/dbraw/zinc/42/95/60/554429560.db2.gz LQNVIJVXJCMVOC-MUUNZHRXSA-N 1 2 557.651 2.965 40 0 KFABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000059780927 554429534 /nfs/dbraw/zinc/42/95/34/554429534.db2.gz HCAIMUGZPNQTMZ-MHZLTWQESA-N 1 2 557.651 2.965 40 0 KFABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000059780933 554429710 /nfs/dbraw/zinc/42/97/10/554429710.db2.gz HCAIMUGZPNQTMZ-HHHXNRCGSA-N 1 2 557.651 2.965 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl ZINC000059781914 554430422 /nfs/dbraw/zinc/43/04/22/554430422.db2.gz ISXKDBIOLLQOAQ-OAQYLSRUSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl ZINC000059781920 554430295 /nfs/dbraw/zinc/43/02/95/554430295.db2.gz ISXKDBIOLLQOAQ-NRFANRHFSA-N 1 2 537.970 2.837 40 0 KFABLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000059929415 554477929 /nfs/dbraw/zinc/47/79/29/554477929.db2.gz AWXAIRZZXBFSFT-DEOSSOPVSA-N 1 2 567.664 2.667 40 0 KFABLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000059929420 554477990 /nfs/dbraw/zinc/47/79/90/554477990.db2.gz AWXAIRZZXBFSFT-XMMPIXPASA-N 1 2 567.664 2.667 40 0 KFABLO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059929647 554478357 /nfs/dbraw/zinc/47/83/57/554478357.db2.gz GBLMWNDPYCSREJ-DEOSSOPVSA-N 1 2 551.665 2.966 40 0 KFABLO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059929653 554478341 /nfs/dbraw/zinc/47/83/41/554478341.db2.gz GBLMWNDPYCSREJ-XMMPIXPASA-N 1 2 551.665 2.966 40 0 KFABLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000059929741 554478545 /nfs/dbraw/zinc/47/85/45/554478545.db2.gz MTXBREIJOKFDEH-VWLOTQADSA-N 1 2 551.665 2.966 40 0 KFABLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000059929752 554478548 /nfs/dbraw/zinc/47/85/48/554478548.db2.gz MTXBREIJOKFDEH-RUZDIDTESA-N 1 2 551.665 2.966 40 0 KFABLO O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000067870931 1059764054 /nfs/dbraw/zinc/76/40/54/1059764054.db2.gz MKZORLKYBIAYBC-SXWKCWPCSA-N 1 2 587.595 2.989 40 0 biogenic,in-vitro KFABLO OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H]([NH+]2CCN(c3ccccn3)CC2)[C@@H]1O ZINC000067890393 554534828 /nfs/dbraw/zinc/53/48/28/554534828.db2.gz BWHHSHGYNGGMGO-FUCIELGGSA-N 1 2 524.612 2.673 40 0 biogenic,in-vitro KFABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)c(Cl)c1 ZINC000067890422 554534900 /nfs/dbraw/zinc/53/49/00/554534900.db2.gz WRKXIINUNQXBTI-CLAROIROSA-N 1 2 531.934 2.539 40 0 biogenic,in-vitro KFABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000067890424 291770643 /nfs/dbraw/zinc/77/06/43/291770643.db2.gz OASGLDNIMBEMQR-CLAROIROSA-N 1 2 547.496 2.765 40 0 biogenic,in-vitro KFABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000067890438 291770648 /nfs/dbraw/zinc/77/06/48/291770648.db2.gz YRITVNVGTBLMOO-CLAROIROSA-N 1 2 528.959 2.792 40 0 biogenic,in-vitro KFABLO COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@@H]([C@H](C)C(=O)NCC[NH+]4CCOCC4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000067898865 554535269 /nfs/dbraw/zinc/53/52/69/554535269.db2.gz OQFXPVHEPAYUFY-DQZWIMGWSA-N 1 2 515.695 2.701 40 0 biogenic,in-vitro KFABLO COc1ccc(C(=O)N[C@H]2CC[C@]3(C)CC[C@H]([C@H](C)C(=O)NCC[NH+]4CCOCC4)[C@H](O)[C@H]3[C@@H]2C)cc1 ZINC000067898866 554535279 /nfs/dbraw/zinc/53/52/79/554535279.db2.gz OQFXPVHEPAYUFY-AZCBIJCDSA-N 1 2 515.695 2.701 40 0 biogenic,in-vitro KFABLO COc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)[C@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000068606178 553592902 /nfs/dbraw/zinc/59/29/02/553592902.db2.gz BSKCHUWGIPJEQQ-NVZGULDHSA-N 1 2 565.670 2.814 40 0 KFABLO COc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000068606183 553592852 /nfs/dbraw/zinc/59/28/52/553592852.db2.gz BSKCHUWGIPJEQQ-WSKINRHYSA-N 1 2 565.670 2.814 40 0 KFABLO COc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000068606187 553592804 /nfs/dbraw/zinc/59/28/04/553592804.db2.gz BSKCHUWGIPJEQQ-STMLCVFMSA-N 1 2 565.670 2.814 40 0 KFABLO COc1ccccc1N1CC[NH+](C[C@@H](O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)CC1 ZINC000068606188 553592944 /nfs/dbraw/zinc/59/29/44/553592944.db2.gz BSKCHUWGIPJEQQ-BOXXPKNESA-N 1 2 565.670 2.814 40 0 KFABLO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000084459729 553677348 /nfs/dbraw/zinc/67/73/48/553677348.db2.gz WHFYPLIBEUJWRV-HSZRJFAPSA-N 1 2 501.583 2.696 40 0 KFABLO CC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000084459729 553677346 /nfs/dbraw/zinc/67/73/46/553677346.db2.gz WHFYPLIBEUJWRV-HSZRJFAPSA-N 1 2 501.583 2.696 40 0 KFABLO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000084459730 553677230 /nfs/dbraw/zinc/67/72/30/553677230.db2.gz WHFYPLIBEUJWRV-QHCPKHFHSA-N 1 2 501.583 2.696 40 0 KFABLO CC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000084459730 553677227 /nfs/dbraw/zinc/67/72/27/553677227.db2.gz WHFYPLIBEUJWRV-QHCPKHFHSA-N 1 2 501.583 2.696 40 0 KFABLO Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000096302099 553748703 /nfs/dbraw/zinc/74/87/03/553748703.db2.gz ZSABFRUOQUPFGW-HSZRJFAPSA-N 1 2 531.579 2.800 40 0 KFABLO Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000096302100 553748776 /nfs/dbraw/zinc/74/87/76/553748776.db2.gz ZSABFRUOQUPFGW-QHCPKHFHSA-N 1 2 531.579 2.800 40 0 KFABLO O=C(CCSCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097959882 553866847 /nfs/dbraw/zinc/86/68/47/553866847.db2.gz WCSMMHSZHCMRTF-UHFFFAOYSA-N 1 2 582.723 2.646 40 0 KFABLO CC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000098005158 554057192 /nfs/dbraw/zinc/05/71/92/554057192.db2.gz BOEVVVIJJFZJOB-JOCHJYFZSA-N 1 2 564.730 2.837 40 0 KFABLO CC[C@H]1CCCCN1S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)ccc1OC ZINC000098005159 554057155 /nfs/dbraw/zinc/05/71/55/554057155.db2.gz BOEVVVIJJFZJOB-QFIPXVFZSA-N 1 2 564.730 2.837 40 0 KFABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1 ZINC000100290300 554283432 /nfs/dbraw/zinc/28/34/32/554283432.db2.gz JTLBJDOBZXNOHR-SANMLTNESA-N 1 2 563.684 2.912 40 0 KFABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NCc3ccccc3)c3cccs3)n2)o1 ZINC000100290302 554283405 /nfs/dbraw/zinc/28/34/05/554283405.db2.gz JTLBJDOBZXNOHR-AREMUKBSSA-N 1 2 563.684 2.912 40 0 KFABLO CCC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+]1CCOCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000100331168 554313808 /nfs/dbraw/zinc/31/38/08/554313808.db2.gz YBGQAVUONAYUOD-URLZHGEESA-N 1 2 562.777 2.851 40 0 KFABLO CCC[C@H](C(=O)NC1CCCCC1)N(CCC[NH+]1CCOCC1)C(=O)C[S@@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000100331173 554313829 /nfs/dbraw/zinc/31/38/29/554313829.db2.gz YBGQAVUONAYUOD-FMARWTIOSA-N 1 2 562.777 2.851 40 0 KFABLO CCC[C@@H](C(=O)NC1CCCCC1)N(CCC[NH+]1CCOCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000100331178 554313714 /nfs/dbraw/zinc/31/37/14/554313714.db2.gz YBGQAVUONAYUOD-BNCXPCJNSA-N 1 2 562.777 2.851 40 0 KFABLO CCC[C@H](C(=O)NC1CCCCC1)N(CCC[NH+]1CCOCC1)C(=O)C[S@](=O)CC(=O)Nc1ccc(C)cc1 ZINC000100331184 554313838 /nfs/dbraw/zinc/31/38/38/554313838.db2.gz YBGQAVUONAYUOD-DZUVLVPSSA-N 1 2 562.777 2.851 40 0 KFABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000100346458 554330418 /nfs/dbraw/zinc/33/04/18/554330418.db2.gz KSHVQPPCIFJRQP-UHFFFAOYSA-N 1 2 524.628 2.876 40 0 KFABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000100346592 554330271 /nfs/dbraw/zinc/33/02/71/554330271.db2.gz DRAIYGHINXCIAU-UHFFFAOYSA-N 1 2 540.627 2.576 40 0 KFABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368625 554354819 /nfs/dbraw/zinc/35/48/19/554354819.db2.gz SPUQIPWXSXURGO-QFIPXVFZSA-N 1 2 564.643 2.973 40 0 KFABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368625 554354817 /nfs/dbraw/zinc/35/48/17/554354817.db2.gz SPUQIPWXSXURGO-QFIPXVFZSA-N 1 2 564.643 2.973 40 0 KFABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368627 554354951 /nfs/dbraw/zinc/35/49/51/554354951.db2.gz SPUQIPWXSXURGO-JOCHJYFZSA-N 1 2 564.643 2.973 40 0 KFABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368627 554354949 /nfs/dbraw/zinc/35/49/49/554354949.db2.gz SPUQIPWXSXURGO-JOCHJYFZSA-N 1 2 564.643 2.973 40 0 KFABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368835 554354853 /nfs/dbraw/zinc/35/48/53/554354853.db2.gz QUORUJOKVPCULA-QFIPXVFZSA-N 1 2 562.627 2.727 40 0 KFABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368835 554354848 /nfs/dbraw/zinc/35/48/48/554354848.db2.gz QUORUJOKVPCULA-QFIPXVFZSA-N 1 2 562.627 2.727 40 0 KFABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368838 554354813 /nfs/dbraw/zinc/35/48/13/554354813.db2.gz QUORUJOKVPCULA-JOCHJYFZSA-N 1 2 562.627 2.727 40 0 KFABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368838 554354811 /nfs/dbraw/zinc/35/48/11/554354811.db2.gz QUORUJOKVPCULA-JOCHJYFZSA-N 1 2 562.627 2.727 40 0 KFABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370781 554356467 /nfs/dbraw/zinc/35/64/67/554356467.db2.gz ZKHZNUKJEYNYQZ-NRFANRHFSA-N 1 2 534.573 2.814 40 0 KFABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370781 554356462 /nfs/dbraw/zinc/35/64/62/554356462.db2.gz ZKHZNUKJEYNYQZ-NRFANRHFSA-N 1 2 534.573 2.814 40 0 KFABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370785 554356553 /nfs/dbraw/zinc/35/65/53/554356553.db2.gz ZKHZNUKJEYNYQZ-OAQYLSRUSA-N 1 2 534.573 2.814 40 0 KFABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370785 554356550 /nfs/dbraw/zinc/35/65/50/554356550.db2.gz ZKHZNUKJEYNYQZ-OAQYLSRUSA-N 1 2 534.573 2.814 40 0 KFABLO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(CC(=O)Nc1ccccc1)n(-c1nc3ccccc3s1)c2=O ZINC000100432315 554392466 /nfs/dbraw/zinc/39/24/66/554392466.db2.gz OVHXNCCDWDUTSG-UHFFFAOYSA-N 1 2 544.637 2.843 40 0 KFABLO O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000100764439 554469446 /nfs/dbraw/zinc/46/94/46/554469446.db2.gz XUMDLSPMECLYGW-KMDXXIMOSA-N 1 2 503.599 2.846 40 0 KFABLO COc1cc(Br)cc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)c(=O)oc21 ZINC000100912036 554518024 /nfs/dbraw/zinc/51/80/24/554518024.db2.gz MIRNQCPRDCNYDA-UHFFFAOYSA-N 1 2 536.404 2.753 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1 ZINC000102100715 554881577 /nfs/dbraw/zinc/88/15/77/554881577.db2.gz GHKGNTBHCKNYAZ-NRFANRHFSA-N 1 2 582.421 2.946 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Br)cc1 ZINC000102100721 554881557 /nfs/dbraw/zinc/88/15/57/554881557.db2.gz GHKGNTBHCKNYAZ-OAQYLSRUSA-N 1 2 582.421 2.946 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1 ZINC000102100824 554881506 /nfs/dbraw/zinc/88/15/06/554881506.db2.gz RKZPUBSEMRLESU-OAQYLSRUSA-N 1 2 548.869 2.580 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Br)cc1 ZINC000102100831 554881860 /nfs/dbraw/zinc/88/18/60/554881860.db2.gz RKZPUBSEMRLESU-NRFANRHFSA-N 1 2 548.869 2.580 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1 ZINC000102100838 554881808 /nfs/dbraw/zinc/88/18/08/554881808.db2.gz XFWWSCRKANLMNU-NRFANRHFSA-N 1 2 548.869 2.580 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1 ZINC000102100842 554881769 /nfs/dbraw/zinc/88/17/69/554881769.db2.gz XFWWSCRKANLMNU-OAQYLSRUSA-N 1 2 548.869 2.580 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1 ZINC000102101772 554881839 /nfs/dbraw/zinc/88/18/39/554881839.db2.gz QZHNPMOVICOKIV-NRFANRHFSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(Cl)cc1 ZINC000102101775 554881789 /nfs/dbraw/zinc/88/17/89/554881789.db2.gz QZHNPMOVICOKIV-OAQYLSRUSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000102245847 554903368 /nfs/dbraw/zinc/90/33/68/554903368.db2.gz JPIPENXLHQZIJD-NRFANRHFSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000102245853 554903394 /nfs/dbraw/zinc/90/33/94/554903394.db2.gz JPIPENXLHQZIJD-OAQYLSRUSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253634 554904283 /nfs/dbraw/zinc/90/42/83/554904283.db2.gz JJXBMCXAOCRDLC-OAQYLSRUSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253636 554904277 /nfs/dbraw/zinc/90/42/77/554904277.db2.gz JJXBMCXAOCRDLC-NRFANRHFSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253642 554904245 /nfs/dbraw/zinc/90/42/45/554904245.db2.gz IRCPHTKOMVQJQB-OAQYLSRUSA-N 1 2 537.970 2.837 40 0 KFABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253647 554904239 /nfs/dbraw/zinc/90/42/39/554904239.db2.gz IRCPHTKOMVQJQB-NRFANRHFSA-N 1 2 537.970 2.837 40 0 KFABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102253732 554904211 /nfs/dbraw/zinc/90/42/11/554904211.db2.gz YKJIMZBEWPOENK-HSZRJFAPSA-N 1 2 547.578 2.582 40 0 KFABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102253737 554904250 /nfs/dbraw/zinc/90/42/50/554904250.db2.gz YKJIMZBEWPOENK-QHCPKHFHSA-N 1 2 547.578 2.582 40 0 KFABLO CN1CCN(C(=O)C(Sc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000104872175 571386971 /nfs/dbraw/zinc/38/69/71/571386971.db2.gz FASKNTWWTRFBTL-UHFFFAOYSA-N 1 2 539.105 2.959 40 0 KFABLO COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)Cc2ccccc2)c1 ZINC000106402091 571412481 /nfs/dbraw/zinc/41/24/81/571412481.db2.gz XAMSSFUAUUGNNN-UHFFFAOYSA-N 1 2 567.664 2.968 40 0 KFABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000108317988 571423360 /nfs/dbraw/zinc/42/33/60/571423360.db2.gz CXKSEVUWNRFGQZ-QNVWVOQGSA-N 1 2 556.656 2.529 40 0 KFABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000108317988 571423359 /nfs/dbraw/zinc/42/33/59/571423359.db2.gz CXKSEVUWNRFGQZ-QNVWVOQGSA-N 1 2 556.656 2.529 40 0 KFABLO Cc1c(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)sc2c1nc(-c1cnc(N)nc1)nc2N1CCOCC1 ZINC000115418898 1059789503 /nfs/dbraw/zinc/78/95/03/1059789503.db2.gz QWTAZVZBGPOSDO-UHFFFAOYSA-N 1 2 526.667 2.928 40 0 KFABLO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000135688029 571448755 /nfs/dbraw/zinc/44/87/55/571448755.db2.gz XBJYDSQMRDDDCT-DORSKGMSSA-N 1 2 532.622 2.850 40 0 KFABLO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000135688029 571448753 /nfs/dbraw/zinc/44/87/53/571448753.db2.gz XBJYDSQMRDDDCT-DORSKGMSSA-N 1 2 532.622 2.850 40 0 KFABLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000137436436 571450349 /nfs/dbraw/zinc/45/03/49/571450349.db2.gz IXSOGNQHHMUEMT-CUMRGQLISA-N 1 2 502.596 2.841 40 0 KFABLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@]2(Cc3cccs3)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000137436436 571450348 /nfs/dbraw/zinc/45/03/48/571450348.db2.gz IXSOGNQHHMUEMT-CUMRGQLISA-N 1 2 502.596 2.841 40 0 KFABLO O=S(=O)(NCCCN1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 ZINC000150372237 571465985 /nfs/dbraw/zinc/46/59/85/571465985.db2.gz KSVVATXCZACOTJ-UHFFFAOYSA-N 1 2 638.448 2.866 40 0 KFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(I)cc1 ZINC000216234360 571593543 /nfs/dbraw/zinc/59/35/43/571593543.db2.gz DHWVIISKEIPCOK-UHFFFAOYSA-N 1 2 510.357 2.559 40 0 KFABLO CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@@H](C)C(=O)[O-])[C@@H](CNc1ccc(C(N)=[NH2+])cc1)[N@H+]2C ZINC000216508733 571596980 /nfs/dbraw/zinc/59/69/80/571596980.db2.gz YKLUXYAMSGHBJX-HNEHEIDXSA-N 1 2 503.607 2.807 40 0 KFABLO CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@@H](C)C(=O)[O-])[C@@H](CNc1ccc(C(N)=[NH2+])cc1)[N@@H+]2C ZINC000216508733 571596979 /nfs/dbraw/zinc/59/69/79/571596979.db2.gz YKLUXYAMSGHBJX-HNEHEIDXSA-N 1 2 503.607 2.807 40 0 KFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222713806 571388190 /nfs/dbraw/zinc/38/81/90/571388190.db2.gz JASPCQZBFVIIJY-QHCPKHFHSA-N 1 2 598.697 2.871 40 0 KFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222713871 571388168 /nfs/dbraw/zinc/38/81/68/571388168.db2.gz JASPCQZBFVIIJY-HSZRJFAPSA-N 1 2 598.697 2.871 40 0 KFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222800819 571399523 /nfs/dbraw/zinc/39/95/23/571399523.db2.gz HTCOTGQXKCXWAF-QHCPKHFHSA-N 1 2 591.174 2.923 40 0 KFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000222800878 571399530 /nfs/dbraw/zinc/39/95/30/571399530.db2.gz HTCOTGQXKCXWAF-HSZRJFAPSA-N 1 2 591.174 2.923 40 0 KFABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000222809903 571400877 /nfs/dbraw/zinc/40/08/77/571400877.db2.gz FCJXCVXWCRTIKL-IBGZPJMESA-N 1 2 504.027 2.765 40 0 KFABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000222809962 571400873 /nfs/dbraw/zinc/40/08/73/571400873.db2.gz FCJXCVXWCRTIKL-LJQANCHMSA-N 1 2 504.027 2.765 40 0 KFABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222815097 571401480 /nfs/dbraw/zinc/40/14/80/571401480.db2.gz FQVSGHQJBMSBBU-NRFANRHFSA-N 1 2 577.147 2.579 40 0 KFABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222815165 571401514 /nfs/dbraw/zinc/40/15/14/571401514.db2.gz FQVSGHQJBMSBBU-OAQYLSRUSA-N 1 2 577.147 2.579 40 0 KFABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222943658 571415759 /nfs/dbraw/zinc/41/57/59/571415759.db2.gz BVEIAMLNOVZLKX-QHCPKHFHSA-N 1 2 628.723 2.880 40 0 KFABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222943716 571415738 /nfs/dbraw/zinc/41/57/38/571415738.db2.gz BVEIAMLNOVZLKX-HSZRJFAPSA-N 1 2 628.723 2.880 40 0 KFABLO CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000223012730 571421591 /nfs/dbraw/zinc/42/15/91/571421591.db2.gz KNJMMKTVLJFJOX-PMERELPUSA-N 1 2 592.762 2.537 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223082164 571429081 /nfs/dbraw/zinc/42/90/81/571429081.db2.gz GKBBQPSOSHABIV-YTTGMZPUSA-N 1 2 685.243 2.828 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223082219 571429119 /nfs/dbraw/zinc/42/91/19/571429119.db2.gz GKBBQPSOSHABIV-JGCGQSQUSA-N 1 2 685.243 2.828 40 0 KFABLO Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1I ZINC000223128027 571434357 /nfs/dbraw/zinc/43/43/57/571434357.db2.gz KUXIWIIDPORNNN-RTBURBONSA-N 1 2 511.433 2.936 40 0 KFABLO Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1I ZINC000223128075 571434354 /nfs/dbraw/zinc/43/43/54/571434354.db2.gz KUXIWIIDPORNNN-MOPGFXCFSA-N 1 2 511.433 2.936 40 0 KFABLO Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1I ZINC000223128126 571434456 /nfs/dbraw/zinc/43/44/56/571434456.db2.gz KUXIWIIDPORNNN-RBUKOAKNSA-N 1 2 511.433 2.936 40 0 KFABLO Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1I ZINC000223128191 571434460 /nfs/dbraw/zinc/43/44/60/571434460.db2.gz KUXIWIIDPORNNN-OALUTQOASA-N 1 2 511.433 2.936 40 0 KFABLO CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000223157357 571437919 /nfs/dbraw/zinc/43/79/19/571437919.db2.gz JZQIFEFHKQRYBO-PMERELPUSA-N 1 2 610.752 2.676 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000223227357 571447662 /nfs/dbraw/zinc/44/76/62/571447662.db2.gz AROWBQQPHDPVTI-UHFFFAOYSA-N 1 2 529.659 2.876 40 0 KFABLO COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223227992 571447636 /nfs/dbraw/zinc/44/76/36/571447636.db2.gz RHOMRCIUFLJFIE-HKBQPEDESA-N 1 2 622.788 2.545 40 0 KFABLO CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)Cc1ccccc1 ZINC000223299962 571457384 /nfs/dbraw/zinc/45/73/84/571457384.db2.gz KYCOCMKDRKEBCO-SSEXGKCCSA-N 1 2 578.735 2.667 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000223343207 571463217 /nfs/dbraw/zinc/46/32/17/571463217.db2.gz BYHKAHHGBQCDDI-UHFFFAOYSA-N 1 2 501.649 2.561 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223372737 571467268 /nfs/dbraw/zinc/46/72/68/571467268.db2.gz GCUDAWPCWOMEBU-JGCGQSQUSA-N 1 2 671.216 2.958 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223372798 571467329 /nfs/dbraw/zinc/46/73/29/571467329.db2.gz GCUDAWPCWOMEBU-YTTGMZPUSA-N 1 2 671.216 2.958 40 0 KFABLO CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)Cc1ccccc1 ZINC000223444547 571477682 /nfs/dbraw/zinc/47/76/82/571477682.db2.gz QPTODHPRRAIGEV-SSEXGKCCSA-N 1 2 596.725 2.806 40 0 KFABLO COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223512565 571490469 /nfs/dbraw/zinc/49/04/69/571490469.db2.gz ZMACOHMDOIQDNF-WJOKGBTCSA-N 1 2 608.761 2.675 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000223914569 571574409 /nfs/dbraw/zinc/57/44/09/571574409.db2.gz LUEPASIEIWRRLT-VMPITWQZSA-N 1 2 513.660 2.506 40 0 KFABLO O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1)c1ccc(Cl)cc1 ZINC000224173489 571490785 /nfs/dbraw/zinc/49/07/85/571490785.db2.gz FBSFKXMLXCOSSF-UHFFFAOYSA-N 1 2 508.025 2.755 40 0 KFABLO COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000224535482 571568755 /nfs/dbraw/zinc/56/87/55/571568755.db2.gz OHNHIFSDYHHEIK-UHFFFAOYSA-N 1 2 518.455 2.503 40 0 KFABLO Cc1cccc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)S(C)(=O)=O)c1C ZINC000224758799 571614462 /nfs/dbraw/zinc/61/44/62/571614462.db2.gz TWYXUIKVSGKYEH-UHFFFAOYSA-N 1 2 536.720 2.733 40 0 KFABLO COC(=O)c1cc(NC(=S)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)cc(C(=O)OC)c1 ZINC000225224274 571659806 /nfs/dbraw/zinc/65/98/06/571659806.db2.gz XNQCYJTZFCGODP-UHFFFAOYSA-N 1 2 517.604 2.800 40 0 KFABLO O=C(Nc1nnc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)s1)c1ccccc1Cl ZINC000225237397 571661129 /nfs/dbraw/zinc/66/11/29/571661129.db2.gz CQLJKYMQIUJDKF-UHFFFAOYSA-N 1 2 508.025 2.755 40 0 KFABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccc(OC(F)(F)F)c3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389597 291771207 /nfs/dbraw/zinc/77/12/07/291771207.db2.gz VUYGDQBHLXHXHY-QUCCMNQESA-N 1 2 509.912 2.797 40 0 biogenic,in-vitro KFABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225391695 560043825 /nfs/dbraw/zinc/04/38/25/560043825.db2.gz SUPOGDOHNQGJRS-XLIONFOSSA-N 1 2 509.912 2.797 40 0 biogenic,in-vitro KFABLO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(OC(F)(F)F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225440169 560042809 /nfs/dbraw/zinc/04/28/09/560042809.db2.gz ALLJOHBMLMQUFW-QUCCMNQESA-N 1 2 509.912 2.797 40 0 biogenic,in-vitro KFABLO Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225554735 571916943 /nfs/dbraw/zinc/91/69/43/571916943.db2.gz MJPIPRGQMAVXBG-LJQANCHMSA-N 1 2 555.122 2.624 40 0 KFABLO Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225554773 571916847 /nfs/dbraw/zinc/91/68/47/571916847.db2.gz MJPIPRGQMAVXBG-IBGZPJMESA-N 1 2 555.122 2.624 40 0 KFABLO Cc1cc(C)cc(N(CCCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)S(C)(=O)=O)c1 ZINC000225600494 571954823 /nfs/dbraw/zinc/95/48/23/571954823.db2.gz LTLXCAFUTLNORH-UHFFFAOYSA-N 1 2 536.720 2.733 40 0 KFABLO Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225717990 572045807 /nfs/dbraw/zinc/04/58/07/572045807.db2.gz STULBHVUFMZFPM-UHFFFAOYSA-N 1 2 524.690 2.689 40 0 KFABLO CCCn1c2ccc(S(=O)(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)cc2sc1=O ZINC000225734390 572053903 /nfs/dbraw/zinc/05/39/03/572053903.db2.gz HFFHPPNECQLFBQ-UHFFFAOYSA-N 1 2 524.690 2.518 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000225738307 572055870 /nfs/dbraw/zinc/05/58/70/572055870.db2.gz FLGPASUHCXMURG-UHFFFAOYSA-N 1 2 578.757 2.686 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225792543 572069589 /nfs/dbraw/zinc/06/95/89/572069589.db2.gz OEUHQMULGZBQMQ-UHFFFAOYSA-N 1 2 515.676 2.951 40 0 KFABLO CC1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)CC1 ZINC000225904068 572080922 /nfs/dbraw/zinc/08/09/22/572080922.db2.gz MQPXCCWONJHHBO-UHFFFAOYSA-N 1 2 524.739 2.658 40 0 KFABLO C[C@@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225904249 572080744 /nfs/dbraw/zinc/08/07/44/572080744.db2.gz CJCYPWOUIXTMIB-JOCHJYFZSA-N 1 2 524.739 2.658 40 0 KFABLO C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225904267 572081006 /nfs/dbraw/zinc/08/10/06/572081006.db2.gz CJCYPWOUIXTMIB-QFIPXVFZSA-N 1 2 524.739 2.658 40 0 KFABLO C[C@@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225904477 572080900 /nfs/dbraw/zinc/08/09/00/572080900.db2.gz URKSGVUPVBQHCA-JOCHJYFZSA-N 1 2 524.739 2.801 40 0 KFABLO C[C@H]1CCCCN1c1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NCC[NH+]2CCOCC2)n1 ZINC000225904493 572080960 /nfs/dbraw/zinc/08/09/60/572080960.db2.gz URKSGVUPVBQHCA-QFIPXVFZSA-N 1 2 524.739 2.801 40 0 KFABLO C[C@@H]1C[C@@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225904626 572081014 /nfs/dbraw/zinc/08/10/14/572081014.db2.gz ANXBYNKXVBRMEG-DHIUTWEWSA-N 1 2 538.766 2.904 40 0 KFABLO C[C@@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225904641 572080635 /nfs/dbraw/zinc/08/06/35/572080635.db2.gz ANXBYNKXVBRMEG-ZRZAMGCNSA-N 1 2 538.766 2.904 40 0 KFABLO C[C@H]1C[C@H](C)CN(c2cc(N3CCN(c4ccccc4)CC3)nc(NC(=S)NCC[NH+]3CCOCC3)n2)C1 ZINC000225904660 572080676 /nfs/dbraw/zinc/08/06/76/572080676.db2.gz ANXBYNKXVBRMEG-GOTSBHOMSA-N 1 2 538.766 2.904 40 0 KFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225904728 572080665 /nfs/dbraw/zinc/08/06/65/572080665.db2.gz WNEPNSBJKQGHQT-UHFFFAOYSA-N 1 2 587.798 2.748 40 0 KFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCc3ccccc3C2)n1 ZINC000225904748 572080772 /nfs/dbraw/zinc/08/07/72/572080772.db2.gz XBGORVHRWCGNQG-UHFFFAOYSA-N 1 2 558.756 2.985 40 0 KFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2Cc3ccccc3C2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225904786 572080824 /nfs/dbraw/zinc/08/08/24/572080824.db2.gz YRMVFMWMCJXWDE-UHFFFAOYSA-N 1 2 544.729 2.942 40 0 KFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCN(c3ccccc3)CC2)cc(N2CCCCCC2)n1 ZINC000225904810 572081000 /nfs/dbraw/zinc/08/10/00/572081000.db2.gz MQAWKPMTZDFVQZ-UHFFFAOYSA-N 1 2 524.739 2.802 40 0 KFABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Sc2ncccn2)cc(N2CCc3ccccc3C2)n1 ZINC000225904911 572080893 /nfs/dbraw/zinc/08/08/93/572080893.db2.gz VKMWQWULITZNJS-UHFFFAOYSA-N 1 2 508.677 2.599 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229935785 572171300 /nfs/dbraw/zinc/17/13/00/572171300.db2.gz SWAGACNLJXQZTJ-DVAKJLRASA-N 1 2 520.563 2.830 40 0 KFABLO CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@H](C)C(=O)[O-])[C@@H](CNc1ccc(C(N)=[NH2+])cc1)[N@H+]2C ZINC000242723268 572199308 /nfs/dbraw/zinc/19/93/08/572199308.db2.gz YKLUXYAMSGHBJX-QQIMBVITSA-N 1 2 503.607 2.807 40 0 KFABLO CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@H](C)C(=O)[O-])[C@@H](CNc1ccc(C(N)=[NH2+])cc1)[N@@H+]2C ZINC000242723268 572199304 /nfs/dbraw/zinc/19/93/04/572199304.db2.gz YKLUXYAMSGHBJX-QQIMBVITSA-N 1 2 503.607 2.807 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230498 572208553 /nfs/dbraw/zinc/20/85/53/572208553.db2.gz SWAGACNLJXQZTJ-OJXRJRMYSA-N 1 2 520.563 2.830 40 0 KFABLO COC(=O)[C@]1(Cc2ccc(O)cc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000245230499 572208569 /nfs/dbraw/zinc/20/85/69/572208569.db2.gz SWAGACNLJXQZTJ-QSGNWFJVSA-N 1 2 520.563 2.830 40 0 KFABLO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253394119 572283739 /nfs/dbraw/zinc/28/37/39/572283739.db2.gz AHDBEFXJJZPVJY-AUXUOOQGSA-N 1 2 664.207 2.778 40 0 KFABLO O=C1NC[C@H]2O[C@@H](CC[C@H]2n2cc(CN3CCOCC3)nn2)CCOc2ccccc2C(=O)N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253394119 572283738 /nfs/dbraw/zinc/28/37/38/572283738.db2.gz AHDBEFXJJZPVJY-AUXUOOQGSA-N 1 2 664.207 2.778 40 0 KFABLO COc1ccc(C[N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)N3CCN(C=O)CC3)C(=O)C2)cc1 ZINC000253394145 572283711 /nfs/dbraw/zinc/28/37/11/572283711.db2.gz ALGDKDKPDWBLTC-YQRQJTODSA-N 1 2 560.695 2.801 40 0 KFABLO COc1ccc(C[N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)N3CCN(C=O)CC3)C(=O)C2)cc1 ZINC000253394145 572283710 /nfs/dbraw/zinc/28/37/10/572283710.db2.gz ALGDKDKPDWBLTC-YQRQJTODSA-N 1 2 560.695 2.801 40 0 KFABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccccc2F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253394155 572283768 /nfs/dbraw/zinc/28/37/68/572283768.db2.gz AMLOXSFOFAMPOZ-PIENVQBSSA-N 1 2 574.646 2.668 40 0 KFABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccccc2F)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253394155 572283767 /nfs/dbraw/zinc/28/37/67/572283767.db2.gz AMLOXSFOFAMPOZ-PIENVQBSSA-N 1 2 574.646 2.668 40 0 KFABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394507 572283756 /nfs/dbraw/zinc/28/37/56/572283756.db2.gz BDYHODLWLWFMSO-FKIWKMFDSA-N 1 2 569.728 2.597 40 0 KFABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253394507 572283755 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RHOMRCIUFLJFIE-WJOKGBTCSA-N 1 2 622.788 2.545 40 0 KFABLO COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000260726692 572324066 /nfs/dbraw/zinc/32/40/66/572324066.db2.gz ZMACOHMDOIQDNF-HKBQPEDESA-N 1 2 608.761 2.675 40 0 KFABLO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408526829 572159020 /nfs/dbraw/zinc/15/90/20/572159020.db2.gz CNSHVKUXGSTWHD-UHFFFAOYSA-N 1 2 537.638 2.925 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408556295 572243741 /nfs/dbraw/zinc/24/37/41/572243741.db2.gz IRKMIUMPRMNKGO-UHFFFAOYSA-N 1 2 536.050 2.967 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000408558552 572245901 /nfs/dbraw/zinc/24/59/01/572245901.db2.gz JRDMEJCPUSNVME-NRFANRHFSA-N 1 2 515.632 2.559 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000408558553 572245862 /nfs/dbraw/zinc/24/58/62/572245862.db2.gz JRDMEJCPUSNVME-OAQYLSRUSA-N 1 2 515.632 2.559 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408559012 572246406 /nfs/dbraw/zinc/24/64/06/572246406.db2.gz UAOWZEFYHJLXEP-UHFFFAOYSA-N 1 2 535.622 2.890 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000408560468 572247433 /nfs/dbraw/zinc/24/74/33/572247433.db2.gz PBRMCWFJJDYVSF-UHFFFAOYSA-N 1 2 515.632 2.559 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1C ZINC000408561423 572248208 /nfs/dbraw/zinc/24/82/08/572248208.db2.gz SHYKTGOOXQGHSH-UHFFFAOYSA-N 1 2 529.659 2.868 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000408562429 572248876 /nfs/dbraw/zinc/24/88/76/572248876.db2.gz ZXTSMYYHWXBHME-JOCHJYFZSA-N 1 2 529.659 2.868 40 0 KFABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1C ZINC000408562430 572248830 /nfs/dbraw/zinc/24/88/30/572248830.db2.gz ZXTSMYYHWXBHME-QFIPXVFZSA-N 1 2 529.659 2.868 40 0 KFABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574180 572259395 /nfs/dbraw/zinc/25/93/95/572259395.db2.gz CTQCPGHQMOIHFY-GOSISDBHSA-N 1 2 534.535 2.524 40 0 KFABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408574181 572259436 /nfs/dbraw/zinc/25/94/36/572259436.db2.gz CTQCPGHQMOIHFY-SFHVURJKSA-N 1 2 534.535 2.524 40 0 KFABLO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577040 572261664 /nfs/dbraw/zinc/26/16/64/572261664.db2.gz ICPUAOYFKXLVRZ-FQEVSTJZSA-N 1 2 573.488 2.885 40 0 KFABLO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408577044 572261703 /nfs/dbraw/zinc/26/17/03/572261703.db2.gz ICPUAOYFKXLVRZ-HXUWFJFHSA-N 1 2 573.488 2.885 40 0 KFABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408579094 572263525 /nfs/dbraw/zinc/26/35/25/572263525.db2.gz MOMKZJZLTNVODJ-KRWDZBQOSA-N 1 2 535.428 2.812 40 0 KFABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408579095 572263546 /nfs/dbraw/zinc/26/35/46/572263546.db2.gz MOMKZJZLTNVODJ-QGZVFWFLSA-N 1 2 535.428 2.812 40 0 KFABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408579445 572263754 /nfs/dbraw/zinc/26/37/54/572263754.db2.gz NLUWYOXNJBGZLM-KRWDZBQOSA-N 1 2 504.509 2.759 40 0 KFABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000408579446 572263778 /nfs/dbraw/zinc/26/37/78/572263778.db2.gz NLUWYOXNJBGZLM-QGZVFWFLSA-N 1 2 504.509 2.759 40 0 KFABLO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408579453 572263735 /nfs/dbraw/zinc/26/37/35/572263735.db2.gz NOOOTKJRMQVWRK-IBGZPJMESA-N 1 2 559.461 2.576 40 0 KFABLO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408579454 572263724 /nfs/dbraw/zinc/26/37/24/572263724.db2.gz NOOOTKJRMQVWRK-LJQANCHMSA-N 1 2 559.461 2.576 40 0 KFABLO CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4cc[nH+]c4)CC3=O)cc2)cc1 ZINC000408579462 572263776 /nfs/dbraw/zinc/26/37/76/572263776.db2.gz NQBFDHGEPCFGSG-FQEVSTJZSA-N 1 2 505.575 2.859 40 0 KFABLO CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4cc[nH+]c4)CC3=O)cc2)cc1 ZINC000408579463 572263816 /nfs/dbraw/zinc/26/38/16/572263816.db2.gz NQBFDHGEPCFGSG-HXUWFJFHSA-N 1 2 505.575 2.859 40 0 KFABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408582598 572264994 /nfs/dbraw/zinc/26/49/94/572264994.db2.gz XFTPHMPRFUOIJL-KRWDZBQOSA-N 1 2 535.428 2.812 40 0 KFABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408582600 572265000 /nfs/dbraw/zinc/26/50/00/572265000.db2.gz XFTPHMPRFUOIJL-QGZVFWFLSA-N 1 2 535.428 2.812 40 0 KFABLO Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)ccc1Br ZINC000408583093 572265176 /nfs/dbraw/zinc/26/51/76/572265176.db2.gz YUHHIMIBYBQSEM-IBGZPJMESA-N 1 2 559.461 2.576 40 0 KFABLO Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)ccc1Br ZINC000408583094 572265224 /nfs/dbraw/zinc/26/52/24/572265224.db2.gz YUHHIMIBYBQSEM-LJQANCHMSA-N 1 2 559.461 2.576 40 0 KFABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408583490 572265344 /nfs/dbraw/zinc/26/53/44/572265344.db2.gz ZZZOLOXDAGPSJL-KRWDZBQOSA-N 1 2 515.408 2.503 40 0 KFABLO O=C(NCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000408583493 572265342 /nfs/dbraw/zinc/26/53/42/572265342.db2.gz ZZZOLOXDAGPSJL-QGZVFWFLSA-N 1 2 515.408 2.503 40 0 KFABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000408586202 572266224 /nfs/dbraw/zinc/26/62/24/572266224.db2.gz ARDQLGSOSKTDEZ-IBGZPJMESA-N 1 2 536.050 2.822 40 0 KFABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000408586206 572266176 /nfs/dbraw/zinc/26/61/76/572266176.db2.gz ARDQLGSOSKTDEZ-LJQANCHMSA-N 1 2 536.050 2.822 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1OC ZINC000408586904 572266309 /nfs/dbraw/zinc/26/63/09/572266309.db2.gz AADHFSHUCBRVQK-LNLBBOMNSA-N 1 2 513.660 2.962 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1OC ZINC000408586906 572266286 /nfs/dbraw/zinc/26/62/86/572266286.db2.gz AADHFSHUCBRVQK-PQCQUMGKSA-N 1 2 513.660 2.962 40 0 KFABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)c1 ZINC000408588625 572266951 /nfs/dbraw/zinc/26/69/51/572266951.db2.gz DLUXSHYEIFFCKE-LNLBBOMNSA-N 1 2 513.660 2.962 40 0 KFABLO COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)c1 ZINC000408588629 572266996 /nfs/dbraw/zinc/26/69/96/572266996.db2.gz DLUXSHYEIFFCKE-PQCQUMGKSA-N 1 2 513.660 2.962 40 0 KFABLO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408590640 572267760 /nfs/dbraw/zinc/26/77/60/572267760.db2.gz KEQJODUFJPBYIJ-UHFFFAOYSA-N 1 2 515.632 2.622 40 0 KFABLO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408593693 572269344 /nfs/dbraw/zinc/26/93/44/572269344.db2.gz NUKOBEJNMDNQDR-RUZDIDTESA-N 1 2 521.639 2.958 40 0 KFABLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000408593696 572269332 /nfs/dbraw/zinc/26/93/32/572269332.db2.gz NUKOBEJNMDNQDR-VWLOTQADSA-N 1 2 521.639 2.958 40 0 KFABLO COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000408593703 572269296 /nfs/dbraw/zinc/26/92/96/572269296.db2.gz NVGSKVVJLJREIH-RMKNXTFCSA-N 1 2 513.660 2.962 40 0 KFABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000408593978 572269433 /nfs/dbraw/zinc/26/94/33/572269433.db2.gz RBQRRFZBGBUIAC-UHFFFAOYSA-N 1 2 536.050 2.822 40 0 KFABLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1OC ZINC000408597759 572271792 /nfs/dbraw/zinc/27/17/92/572271792.db2.gz XZJLYXDGXMYWPS-RMKNXTFCSA-N 1 2 513.660 2.962 40 0 KFABLO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)c1 ZINC000408600353 572272434 /nfs/dbraw/zinc/27/24/34/572272434.db2.gz AGLSQZYLOAPODU-UHFFFAOYSA-N 1 2 539.610 2.948 40 0 KFABLO COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cc(Cl)ccc2OC)cc1OC ZINC000408601474 572272910 /nfs/dbraw/zinc/27/29/10/572272910.db2.gz ABSIORKHNIXSLS-UHFFFAOYSA-N 1 2 523.011 2.964 40 0 KFABLO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408602022 572273127 /nfs/dbraw/zinc/27/31/27/572273127.db2.gz BTZOSAXQVOIXJS-UHFFFAOYSA-N 1 2 524.384 2.890 40 0 KFABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)sc2c1CC[N@@H+](C)C2 ZINC000408604683 572274024 /nfs/dbraw/zinc/27/40/24/572274024.db2.gz HQUCXUYSYGSEDX-UHFFFAOYSA-N 1 2 516.439 2.690 40 0 KFABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)sc2c1CC[N@H+](C)C2 ZINC000408604683 572274023 /nfs/dbraw/zinc/27/40/23/572274023.db2.gz HQUCXUYSYGSEDX-UHFFFAOYSA-N 1 2 516.439 2.690 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000408610082 572276018 /nfs/dbraw/zinc/27/60/18/572276018.db2.gz UWFYJQCYVJDSSC-UHFFFAOYSA-N 1 2 521.945 2.987 40 0 KFABLO CCOc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408611334 572276534 /nfs/dbraw/zinc/27/65/34/572276534.db2.gz TXQMMYCPBLSCJR-UHFFFAOYSA-N 1 2 502.593 2.701 40 0 KFABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408612854 572277057 /nfs/dbraw/zinc/27/70/57/572277057.db2.gz ZGBAJBNJQVQDCI-QPJJXVBHSA-N 1 2 520.051 2.597 40 0 KFABLO CC1CCN(S(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)CC1 ZINC000408618388 572280089 /nfs/dbraw/zinc/28/00/89/572280089.db2.gz FZFZKNZLBBHTMX-UHFFFAOYSA-N 1 2 515.632 2.559 40 0 KFABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCC[NH+]1CCOCC1 ZINC000408618740 572280236 /nfs/dbraw/zinc/28/02/36/572280236.db2.gz FLLHYNRUVIAFOK-UHFFFAOYSA-N 1 2 530.872 2.742 40 0 KFABLO O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCC[NH+]1CCOCC1 ZINC000408619252 572280492 /nfs/dbraw/zinc/28/04/92/572280492.db2.gz GWENADQFWYOTET-UHFFFAOYSA-N 1 2 504.411 2.772 40 0 KFABLO COC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)sc2c1CC[N@@H+](C)C2 ZINC000408619423 572280592 /nfs/dbraw/zinc/28/05/92/572280592.db2.gz MMEPMERWUYYVNG-UHFFFAOYSA-N 1 2 563.439 2.532 40 0 KFABLO COC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)sc2c1CC[N@H+](C)C2 ZINC000408619423 572280591 /nfs/dbraw/zinc/28/05/91/572280591.db2.gz MMEPMERWUYYVNG-UHFFFAOYSA-N 1 2 563.439 2.532 40 0 KFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000408620737 572281268 /nfs/dbraw/zinc/28/12/68/572281268.db2.gz LGELLKZNVVCQNZ-UHFFFAOYSA-N 1 2 500.448 2.941 40 0 KFABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000408620839 572281347 /nfs/dbraw/zinc/28/13/47/572281347.db2.gz MLXYFRRSDPHRAU-UHFFFAOYSA-N 1 2 515.554 2.666 40 0 KFABLO 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